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CAS 158243-48-2 N-Methoxy-N-Methyl-1,4-dioxaspiro[4.5]decane-8-carboxaMide molecular structure lightbox
CAS RN: 158243-48-2

N-Methoxy-N-Methyl-1,4-dioxaspiro[4.5]decane-8-carboxaMide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260125 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS158243-48-2
  • Purity/Analytical Methods: >99.0%
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158243-48-2 / N-methoxy-N-methyl-1,4-dioxaspiro[4.5]decane-8-carboxamide

Standard CAS: 158243-48-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
158243-48-2
Multi CAS
No
Molecular Formula
C11H19NO4
Molecular Weight
229.270000
Exact Mass
229.131408
SMILES
CN(C(=O)C1CCC2(CC1)OCCO2)OC
InChI
InChI=1S/C11H19NO4/c1-12(14-2)10(13)9-3-5-11(6-4-9)15-7-8-16-11/h9H,3-8H2,1-2H3
InChIKey
OYSBVBIAZACMHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
56.37
TPSA
48

LogP / Solubility

WLOGP
0.94
MLOGP
0.83
XLogP3
0.4
Consensus LogP
0.72
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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